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1-[o-(beta-D-glucosylthio)phenyl]-2-thiourea

View entire compound with spectra: 1 FTIR, and 1 UV-Vis

1-[o-(beta-D-glucosylthio)phenyl]-2-thiourea
SpectraBase Compound ID 61TTnGerC0C
InChI InChI=1S/C13H18N2O5S2/c14-13(21)15-6-3-1-2-4-8(6)22-12-11(19)10(18)9(17)7(5-16)20-12/h1-4,7,9-12,16-19H,5H2,(H3,14,15,21)/t7-,9-,10+,11-,12+/m1/s1
InChIKey ZVSBMWVSOFTUKT-URYVQPGZSA-N
Mol Weight 346.42 g/mol
Molecular Formula C13H18N2O5S2
Exact Mass 346.065714 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID JMRDEizfoHS
Name 1-[o-(beta-D-GLUCOSYLTHIO)PHENYL]-2-THIOUREA
Source of Sample G. Wagner, Karl-Marx University, Leipzig, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N2O5S2
InChI InChI=1S/C13H18N2O5S2/c14-13(21)15-6-3-1-2-4-8(6)22-12-11(19)10(18)9(17)7(5-16)20-12/h1-4,7,9-12,16-19H,5H2,(H3,14,15,21)/t7-,9-,10+,11-,12+/m1/s1
InChIKey ZVSBMWVSOFTUKT-URYVQPGZSA-N
Literature Reference Abstract-Chemical Abstracts= 60, 4239(1964)
Melting Point 112-120C
Molecular Weight 346.415985
Optical Properties Optical Rotation= (20C) -47 DEG (c=1.0, WATER)
Synonyms UREA, 1-/O-/B-D-GLUCOSYLTHIO/- PHENYL/-2-THIO-, /MINUS/-, GLUCOPYRANOSIDE, /O-/2-THIOUREIDO/- PHENYL/ 1-THIO-, B-D-/MINUS/-, UREA, 1-/O-/B-D-GLUCOPYRANOSYL- THIO/PHENYL/-2-THIO-, /MINUS/-,
Technique KBr WAFER